Identitet

2-Hydroxyethynylestradiol

Nije navedeno · C20H24O3

01Identitet

Lazychem ID	LC-41397
CAS RN	Nije navedeno
PubChem CID	40561832
Molecular formula	C20H24O3
Molecular weight	312.4 g/mol
IUPAC name	(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol
InChIKey	KQJCDKMHNQVWDV-BKRJIHRRSA-N

02Struktura i stereokemija

Two-dimensional chemical structure of 2-Hydroxyethynylestradiol — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=C(C=C34)O)O
InChI	Nije navedeno

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.